chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)

C32H46CrN2O4 — CID 139139175

IUPACchromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
SMILESCC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.[Cr+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C11H20O2.C10H8N2.Cr/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*7,12H,1-6H3;1-8H;/q;;;+2/p-2/b2*8-7-;;
InChIKeyFRIHSHMIWMIJLY-ZJCTYWPYSA-L
MW574.73 g/mol
LogP5.92
Rot. Bonds3

About chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)

chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) (PubChem CID 139139175) has the molecular formula C32H46CrN2O4 and a molecular weight of 574.73 g/mol. Its IUPAC name is chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate).

Molecular Properties

Compound Namechromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
PubChem CID139139175
Molecular FormulaC32H46CrN2O4
Molecular Weight574.73 g/mol
Exact Mass574.29
IUPAC Namechromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
SMILESCC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.[Cr+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C11H20O2.C10H8N2.Cr/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*7,12H,1-6H3;1-8H;/q;;;+2/p-2/b2*8-7-;;
InChIKeyFRIHSHMIWMIJLY-ZJCTYWPYSA-L
XLogP5.92
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
The IUPAC name of chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) (CID 139139175) is chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate).
What is the SMILES notation for chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
The canonical SMILES for chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) is CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.[Cr+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
The InChIKey is FRIHSHMIWMIJLY-ZJCTYWPYSA-L. The full InChI is InChI=1S/2C11H20O2.C10H8N2.Cr/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*7,12H,1-6H3;1-8H;/q;;;+2/p-2/b2*8-7-;;.
What are the key properties of chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)?
chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) has a molecular weight of 574.73 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);2-pyridin-2-ylpyridine;bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate) is sourced from PubChem (CID 139139175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).